methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-(methylsulfonylamino)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-(methylsulfonylamino)pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-(methanesulfonamido)pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-(methanesulfonamido)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-(methanesulfonamido)pyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-(methanesulfonamido)pyrrolidine-2-carboxylic acid methyl ester Formula: C17H26N2O7S2 MolecularWeight: 434.52754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)NS(=O)(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@@H]2C(=O)OC)NS(=O)(=O)C

InChI

InChI=1S/C17H26N2O7S2/c1-4-5-10-26-14-6-8-15(9-7-14)28(23,24)19-12-13(18-27(3,21)22)11-16(19)17(20)25-2/h6-9,13,16,18H,4-5,10-12H2,1-3H3/t13-,16+/m0/s1